SCHEMBL15599592

SCHEMBL15599592

CC(C)(C)OC(=O)N[C@H]1CC[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.52
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
DRD2 P14416 1/20 0.44
WNK1 Q9H4A3 2/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
PKM P14618 1/20 0.42
APP P05067 1/20 0.41
MAPT P10636 2/20 0.41
PSMD14 O00487 1/20 0.41
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
CACNB4 O00305 1/20 0.41
CACNA1A O00555 1/20 0.41
CACNA1G O43497 1/20 0.41
CACNG3 O60359 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16989691 1.00 HCAR3 (0.52) HCAR3ALDH1A1NPC1RAB9AKMT2A
SCHEMBL15599533 0.91 ALDH1A1 (0.53) HCAR3ALDH1A1NPC1RAB9AKMT2A
SCHEMBL1015485 0.88 HCAR3 (0.53) HCAR3ALDH1A1NPC1KMT2ASMN1; SMN2
SCHEMBL1015486 0.88 HCAR3 (0.53) HCAR3ALDH1A1NPC1KMT2ASMN1; SMN2
SCHEMBL7183491 0.85 PKM (0.55) HCAR3ALDH1A1KMT2AMAPK1PKM
SCHEMBL18687361 0.85 HCAR3 (0.50) HCAR3ALDH1A1NPC1RAB9AKMT2A
SCHEMBL7183476 0.85 PKM (0.55) HCAR3ALDH1A1KMT2AMAPK1PKM
SCHEMBL7177008 0.84 HCAR3 (0.49) HCAR3RAB9AKMT2ADRD2MAPT
SCHEMBL7176994 0.84 HCAR3 (0.49) HCAR3RAB9AKMT2ADRD2MAPT
SCHEMBL13527774 0.84 KDM1A (0.49) HCAR3ALDH1A1NPC1RAB9AKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505749-B2 Quinazolinone compounds and derivatives thereof AMGEN INC. (US) 2016-11-29 US disclosed
US-20150225396-A1 Quinazolinone Compounds and Derivatives Thereof AMGEN INC. 2015-08-13 US disclosed
WO-2014036022-A1 QUINAZOLINONE COMPOUNDS AND DERIVATIVES THEREOF AMGEN INC. (US) 2014-03-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150225396-A1 Quinazolinone Compounds and Derivatives Thereof TNKS, TPI1, TNKS1BP1 HCAR3 3181/4885ALDH1A1 1715/4885NPC1 3907/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.